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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50587756'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholinesterase


(Equus caballus (Horse))
BDBM50587756
PNG
(CHEMBL5206601)
Show SMILES [Br-].COc1ccc(\C=C\C(=O)Nc2cc[n+](Cc3ccc(F)cc3)cc2)cc1OC
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113278
BindingDB Entry DOI: 10.7270/Q2PR80XJ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50587756
PNG
(CHEMBL5206601)
Show SMILES [Br-].COc1ccc(\C=C\C(=O)Nc2cc[n+](Cc3ccc(F)cc3)cc2)cc1OC
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113278
BindingDB Entry DOI: 10.7270/Q2PR80XJ
More data for this
Ligand-Target Pair